Physical Sciences and Mathematics Commons^™

Designing And Decoding Chemical Bonds: A Computational Pipeline Backed Up By Magnetic Criteria And Experiment, Nikita Fedik

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

You may find plenty of definitions of chemistry but all of them, explicitly or not, are centered around chemical bonds. When we say “chemical properties”, “reactivity”, “stability”, “structure” etc., we have in mind chemical bonds and their reorganization which almost completely defines the behavior of the matter. Why some materials are ultrahard and can cut through steel while others are so soft that you can form them with your bare hands? You probably have already guessed that it occurs because their chemical bonding is very different. Although the elemental composition could be the same! In this Dissertation, we report results …

Exponential Tensor Modules, Khoa Hoang Nguyen

Mathematics Dissertations

Representation theory of Lie algebra of a finite dimensional reductive Lie algebra g is a long-standing problem. The ultimate goal is to classify all representations of g. However. the only case only case when a complete classification is obtained is the case of g = sl(2). Hence, it is natural to study certain categories of representations of g for which some finiteness conditions on the action of certain elements of g is enforced. In this thesis, we introduce a class of representations T (g, V, S) of sl(n + 1) of mixed tensor type. By varying the polynomial g, the …

Evaluating The Behaviour Of Centrally Perforated Unreinforced Masonry Walls: Applications Of Numerical Analysis, Machine Learning, And Stochastic Methods, Mohsen Khaleghi, Javid Salimi, Visar Farhangi, Mohammad Javad Moradi, Moses Karakouzian

Civil and Environmental Engineering and Construction Faculty Research

The presence of openings greatly affects the response of unreinforced masonry (URM) walls. This topic greatly attracts the attention of many researchers. Perforated unreinforced masonry (PURM) walls under in-plane loads through the truss discretization method (TDM) along with several machine learning approaches such as Multilayer perceptron (MLP), Group of Method Data Handling (GMDH), and Radial basis function (RBF) are described in this paper. A new method named Multi-pier (MP) that is fast and accurate, is used to determine the behavior of PURM walls. The results of the MP method are expressed as a ratio of lateral load-bearing capacity and initial …

Carnarvon Floodplain Management - Working Group Report, Department Of Primary Industries And Regional Development, Western Australia, Department Of Water And Environmental Regulation, Western Australia, Canarvon Growers Association, Department Of Fire And Emergency Services, Western Australia, Shire Of Canarvon, Western Australia

Horticulture research reports

Periodic flooding of the lower Gascoyne River floodplain at Carnarvon is a natural event. The flooding results from cyclonic and thunderstorm activity in the catchment, with the risk period generally from November to May, associated with the wet season in the north of WA. The Carnarvon horticultural area has suffered considerable damage following flooding of the Gascoyne River in 1960,1961, 1974, 1980, 1995, 2000, 2009, 2010/11 and 2021.

The WA Government has undertaken restoration programs to replace soil lost for most of these major flooding events. Apart from the soil loss and risks of permanent damage to the natural resource, …

The Effects Of Metronomic And Maximum-Tolerated Dose Chemotherapy In Colorectal Cancer Angiogenesis: A Combined Approach Using Endoscopic Diffuse Reflectance Spectroscopy And Mrna Expression, Ariel Isaac Mundo Ortiz

Graduate Theses and Dissertations

Colorectal cancer (CRC) continues to be one of the most incident and deadliest types of cancer worldwide. Chemotherapy has proven effective to reduce tumor burden for CRC patients, but there are several disadvantages associated with the use of mainstay maximtolerated dose (MTD) chemotherapeutic strategies. Metronomic chemotherapy (MET) has been developed as an alternative that addresses the shortcomings of maximum-tolerated dose chemotherapy but so far its effectiveness as a neoadjuvant strategy for CRC has not been explored.

This dissertation uses a combined optics and molecular biology approach (using diffuse reflectance spectroscopy and mRNA expression) to study the changes in angiogenesis and …

Fabrication Of Mof Films Of Uio Or Pcn Type Through Layer-By-Layer Molecular Deposition As Well As Bulk Deposition For Catalytic Applications, John Ozdemir

Graduate Theses and Dissertations

Metal-organic frameworks (MOFs) are crystalline, porous materials comprised of symmetric organic linkers coordinated to positively charged metal atoms or metal oxide nodes. This dissertation uses strategies in crystal engineering to advance the study of functional MOFs with emphasis on thin film deposition. The first chapter of this dissertation will introduce the field of reticular chemistry to the reader and describe synthetic efforts to develop useful building blocks for MOF materials: namely porphyrin macrocycles and carboxylate capped zirconium-oxo and hafnium-oxo clusters. The building blocks for MOFs developed in the first chapter will be employed in the second and third chapters through …

Ab Initio Studies Of Structure And Properties Of Group-Iv Monochalcogenide Monolayers, Shiva Prasad Poudel

Graduate Theses and Dissertations

The goal of this dissertation is to study the structure of ferroelectric group-IV monochalcogenide monolayers (MMLs) and their material properties. This work also established a new buckled honeycomb phase of these monolayers. Chapter 1 serves as an introduction where the motivation for these studies is established. In chapter 2, I used eight different exchange-correlation functionals (XC) to study the structure of these 2D ferroelectrics and found that their properties are independent of the choice of XC functionals. These findings reveal that the ground-state ferroelectric unit cell can be described by only five independent parameters, whereas their paraelectric (square or rectangular) …

Posterior Predictive Model Checking Of The Hierarchical Rater Model, Nnamdi Chika Ezike

Graduate Theses and Dissertations

Fitting wrongly specified models to observed data may lead to invalid inferences about the model parameters of interest. The current study investigated the performance of the posterior predictive model checking (PPMC) approach in detecting model-data misfit of the hierarchical rater model (HRM). The HRM is a rater-mediated model that incorporates components of the polytomous item response theory (IRT) model, such as the partial credit model (PCM) and generalized partial credit model (GPCM), at the second level of the hierarchy, to model examinees’ responses to performance assessments. To date, the HRM has not been rigorously evaluated using PPMC techniques. Monte Carlo …

A Geochemical And Mineralogical Evaluation Of The Mona Lisa Turquoise Mine, Polk County, Arkansas, Alexander Arai Goodsuhm

Graduate Theses and Dissertations

The presence of turquoise in Arkansas has long been disputed by geologists and gem collectors. Despite the prevalence of other phosphate minerals in Arkansas, such as planerite, wavellite, and variscite, the absence of an obvious copper (Cu) source required for turquoise formation was considered too great of an obstacle for turquoise mineralization. In this study, geologic, mineralogical, and geochemical techniques provide overwhelming evidence that the novaculite-hosted Mona Lisa Mine in Arkansas does produce turquoise. X-ray diffraction and Raman spectroscopy have confirmed the structural nature of the material and identified other phosphate minerals, such as crandallite, often found in assemblage with …

Finite Dimensional Approximation And Pin(2)-Equivariant Property For Rarita-Schwinger-Seiberg-Witten Equations, Minh Lam Nguyen

Graduate Theses and Dissertations

The Rarita-Schwinger operator Q was initially proposed in the 1941 paper by Rarita and Schwinger to study wave functions of particles of spin 3/2, and there is a vast amount of physics literature on its properties. Roughly speaking, 3/2−spinors are spinor-valued 1-forms that also happen to be in the kernel of the Clifford multiplication. Let X be a simply connected Riemannian spin 4−manifold. Associated to a fixed spin structure on X, we define a Seiberg-Witten-like system of non-linear PDEs using Q and the Hodge-Dirac operator d∗ + d+ after suitable gauge-fixing. The moduli space of solutions M contains (3/2-spinors, purely …

Optimized Damage Assessment And Recovery Through Data Categorization In Critical Infrastructure System., Shruthi Ramakrishnan

Graduate Theses and Dissertations

Critical infrastructures (CI) play a vital role in majority of the fields and sectors worldwide. It contributes a lot towards the economy of nations and towards the wellbeing of the society. They are highly coupled, interconnected and their interdependencies make them more complex systems. Thus, when a damage occurs in a CI system, its complex interdependencies make it get subjected to cascading effects which propagates faster from one infrastructure to another resulting in wide service degradations which in turn causes economic and societal effects. The propagation of cascading effects of disruptive events could be handled efficiently if the assessment and …

Diederich-Fornæss Index On Boundaries Containing Crescents, Jason Demoulpied

Graduate Theses and Dissertations

The worm domain developed by Diederich and Fornæss is a classic example of a boundedpseudoconvex domains that fails to satisfy global regularity of the Bergman Projection, due to the set of weakly pseudoconvex points that form an annulus in its boundary. We instead examine a bounded pseudoconvex domain Ω ⊂ C2 whose set of weakly pseudoconvex points form a crescent in its boundary. In 2019, Harrington had shown that these types of domains satisfy global regularity of the Bergman Projection based on the existence of good vector fields. In this thesis we study the Regularized Diederich-Fornæss index of these domains, …

Rodent Dental Microwear Texture Analysis As A Proxy For Fine-Scale Paleoenvironment Reconstruction, Jenny H. E. Burgman

Graduate Theses and Dissertations

Dental microwear texture analysis (DMTA) of fossil fauna has become a valuable tool for dietary inference and paleoenvironment reconstruction. Most of this work has utilized larger taxa with larger home ranges. These studies may result in broader-scale habitat inferences that could mask the details of complex mosaic habitats. Rodent DMTA offers an opportunity to work at finer spatial scales because most species have smaller home ranges. Rodents are also keystone species within their ecosystems, abundant, ubiquitous, and found in many fossil deposits. These attributes make them excellent proxies for environmental reconstructions. However, the application of DMTA to rodents remains relatively …

Design, Fabrication, And Characterization Of An Array Of Graphene Based Variable Capacitors, Millicent Nkirote Gikunda

Graduate Theses and Dissertations

Since it was first isolated and characterized in 2004, graphene has shown the potential for a technological revolution. This is due to its amazing physical properties such as high electrical conductivity, high thermal conductivity, and extreme flexibility. Freestanding graphene membranes naturally possesses an intrinsic rippled structure, and these ripples are in constant random motion even room temperatures. Occasionally, the ripples undergo spontaneous buckling (change of curvature from concave to convex and vice versa) and the potential energy associated with this is a double well potential. This movement of graphene is a potential source of vibrational energy.

In this dissertation, we …

Reconstructing Bison And Mammoth Migration During The Late Pleistocene And Early Holocene Of Central Texas Using Strontium Isotopes, Joshua John Porter

Graduate Theses and Dissertations

During the Late Pleistocene (LP; past 130,000 years), over two-thirds of large mammal (>45kg) species went extinct globally. While the role of humans is hotly debated, the effect of these extinctions is growing clearer; the extinctions resulted in widespread and lasting faunal community reorganization. However, the impact of these extinctions on dietary and migratory behavior within faunal communities is unknown. Our study examines the impact of the megafaunal extinctions on the dietary and migratory behavior of surviving Bison individuals in Texas using carbon, oxygen, and strontium isotopes. Strontium isotopes are incorporated into mammalian enamel during their tooth development and …

Crystal Growth And Property Tuning Of Layered Magnetic Topological Semimetals, Krishna Pandey

Graduate Theses and Dissertations

The demand for energy-efficient devices has been growing rapidly due to the need for data-driven technologies and the global energy crisis. As device size approaches the atomic scale, the miniaturization of electronic devices may stop in the near future unless fundamentally new materials or device concepts are developed. The emergent topological materials with exotic properties show remarkable robustness against crystal lattice defects, which are promising for next-generation technology. These materials host exotic properties such as high mobility, large magnetoresistance, chiral anomaly, and surface Fermi arcs, etc. Among various topological materials, the ZrSiS-family materials exhibit two types of Dirac states, which …

Framework Of Hardware Trojan Detection Leveraging Structural Checking Tool, Rafael Dacanay Del Carmen

Graduate Theses and Dissertations

Since there is a significant demand for obtaining third-party soft Intellectual Property (IP) by first-party integrated circuit (IC) vendors, it is becoming easier for adversaries to insert malicious logic known as hardware Trojans into designs. Due to this, vendors need to find ways to screen the third-party IPs for possible security threats and then mitigate them. The development of the Structural Checking (SC) tool provides a solution to this issue. This tool analyzes the structure of an unknown soft IP design and creates a network of all the signals within the design and how they are connected to each other. …

Understanding Interfacial Reactions Initiating On Electrode Materials For Energy Storage Technologies, Jingnan Li

Graduate Theses and Dissertations

Since the first generation of lithium-ion batteries featured lithium cobalt oxide cathode and carbon anode commercialized in the 1990s, the high-capacity materials with lower cost are in demand to further increase the battery energy density. Lithium metal and silicon anode are promising high-capacity anode materials to achieve next-generation lithium batteries. However, both the materials actively react in electrolytes and suffer from dramatic volume change. Therefore, a reliable passivation layer at the electrolyte/electrode interphase (i.e., solid electrolyte interphase, or “SEI”) is required to support the long-term cycling of both materials. Cetrimonium hydro fluoride (CTAHF2) has been proposed and synthesized as an …

Introduction Of Human Acidic Fibroblast Growth Factor (Fgf1) Variant With Increased Stability And Bioactivity, Azadeh Tavousi Tabatabaei

Graduate Theses and Dissertations

Human acidic Fibroblast Growth Factor 1 (FGF-1) involves in a broad spectrum of biological processes, including cell growth, proliferation, differentiation, migration, angiogenesis, wound healing, and embryonic development. hFGF1 non-selectively binds to cell surface hFGF receptor isoforms to elicit these cell-signaling processes. Since hFGF1 plays a significant role in tissue repair activity, that is a prime candidate for novel wound healing therapeutics. However, hFGF1 has been found to unfold near physiological temperature due to a strong electrostatic repulsion created by a dense cluster of positively charged amino acids near the c-terminus. The problem not only leads to proteolytic degradation of the …

Robust And Fair Machine Learning Under Distribution Shift, Wei Du

Graduate Theses and Dissertations

Machine learning algorithms have been widely used in real world applications. The development of these techniques has brought huge benefits for many AI-related tasks, such as natural language processing, image classification, video analysis, and so forth. In traditional machine learning algorithms, we usually assume that the training data and test data are independently and identically distributed (iid), indicating that the model learned from the training data can be well applied to the test data with good prediction performance. However, this assumption is quite restrictive because the distribution shift can exist from the training data to the test data in many …

Temporal Changes In Surface Water Availability: Patterns Of Seasonal Shift On Water Stress In The Conterminous Us Under A Changing Climate, Quinn Montana

Graduate Theses and Dissertations

The argument could be made that there is nothing more valuable on the planet than water. Our lives depend upon it. Climate change is already having an impact on the United States (US) and water stress will be one of the problems we increasingly face in coming decades. Regional research has shown that one or another part of the conterminous US (CONUS) is expected to experience an annual deficit or a surplus in runoff. Further studies have looked at changing patterns over the CONUS as a whole. Other research has focused on a particular season. This work addresses a gap …

Supervised Representation Learning For Improving Prediction Performance In Medical Decision Support Applications, Phawis Thammasorn

Graduate Theses and Dissertations

Machine learning approaches for prediction play an integral role in modern-day decision supports system. An integral part of the process is extracting interest variables or features to describe the input data. Then, the variables are utilized for training machine-learning algorithms to map from the variables to the target output. After the training, the model is validated with either validation or testing data before making predictions with a new dataset. Despite the straightforward workflow, the process relies heavily on good feature representation of data. Engineering suitable representation eases the subsequent actions and copes with many practical issues that potentially prevent the …

A Novel Data Lineage Model For Critical Infrastructure And A Solution To A Special Case Of The Temporal Graph Reachability Problem, Ian Moncur

Graduate Theses and Dissertations

Rapid and accurate damage assessment is crucial to minimize downtime in critical infrastructure. Dependency on modern technology requires fast and consistent techniques to prevent damage from spreading while also minimizing the impact of damage on system users. One technique to assist in assessment is data lineage, which involves tracing a history of dependencies for data items. The goal of this thesis is to present one novel model and an algorithm that uses data lineage with the goal of being fast and accurate. In function this model operates as a directed graph, with the vertices being data items and edges representing …

Using Thermal Units To Predict Biomass Accumulation And Total Nitrogen Uptake For Cover Crops In Arkansas, Mila Victório Pessotto

Graduate Theses and Dissertations

Including cover crops in agricultural production systems is an important management practice. Cover cropping can improve soil health, increase plant-available nitrogen (N), provide surface residue to prevent erosional soil loss, increase water infiltration, and increase weed suppression. Cover crops growth can be predicted using thermal days or growing degree days [GDD] similar to commodity crops such as corn (Zea mays L.) or rice (Oryza sativa). Growing degree day calculations are a well-known tool to predict crop growth stage or development stage and can be adapted for use in any plant species, including cover crops. Identifying and developing the relationship between …

Cyanobacterial Harmful Algal Blooms Vary Within And Across Years At Lake Fayetteville, Arkansas, Alyssa Ferri

Graduate Theses and Dissertations

The occurrence of cyanobacterial harmful algal blooms (HABs) and toxins are a nationwide concern. Although Lake Fayetteville likely experienced HABs for many years, microcystin, an algal toxin, was not monitored until 2019. The objectives of this study were to: 1) observe temporal variation in water quality and total microcystin concentrations, 2) quantify thresholds with microcystin and nutrients, algal parameters, and environmental factors, and 3) evaluate complex relationships between total microcystin and nutrient supplies, algal parameters, and environmental factors using a classification and regression tree model (CART). Three sites (dam, inlet, and mid) at Lake Fayetteville were sampled weekly to monthly …

Colloidal Monolayers For Concentration Light In Ultra-Thin Semiconductor Layers, Rachel Cherry

Graduate Theses and Dissertations

Thin film semiconductors are used as photoconductive absorber layers for the development of broadband terahertz generation. Using a femtosecond laser pulse, the generation of a transient increase in the conductivity occurs by photoexciting conduction band electrons in the semiconductor. These thermalize through the emission of terahertz radiation. The route to terahertz generation is not particularly efficient as significant losses come from the absorption in the substrate that is beneath the photoconductive antenna layer. This work explores the application of hexagonally close-packed monolayers of chemically synthesized nanospheres as a potential light concentration method for ultra-thin films of GaAs and black phosphorus …

Aberrant Responding With Underlying Dominance And Unfolding Response Processes: Examining Model Fit And Performance Of Person-Fit Statistics, Jennifer A. Reimers

Graduate Theses and Dissertations

Researchers have recognized that respondents may not answer items in a way that accurately reflects their attitude or trait level being measured. The resulting response data that deviates from what would be expected has been shown to have significant effects on the psychometric properties of a scale and analytical results. However, many studies that have investigated the detection of aberrant data and its effects have done so using dominance item response theory (IRT) models. It is unknown whether the impacts of aberrant data and the methodology used to identify aberrant responding when using dominance IRT models apply similarly when scales …

Cyanobacterial And Microcystin Response To Nutrient Additions At Lake Fayetteville Throughout The 2021 Growing Season, Lillie Haddock

Graduate Theses and Dissertations

Harmful Algal Blooms (HABs) are becoming a global concern due to their increasing distribution, frequency, intensity, and the occurrence of toxins. While it is known that eutrophication influences algal blooms, there is less known about what triggers these HABs to produce toxins, especially microcystin. In this study, we conducted 21 community bioassays at Lake Fayetteville, a hypereutrophic reservoir in Fayetteville, Arkansas, from April-November 2021 to examine how the addition of phosphorous and nitrogen influence cyanobacteria concentrations, microcystin concentrations, and microcystin toxin production. These experiments included a control, nitrogen (1.0 mg/L as KNO3), low phosphorus (0.025 mg/L as K2HPO4), high phosphorus …

Multi-Trophic Biodiversity Increases With Increasing Structural Complexity Of Forest Canopy, Ayanna St. Rose

Graduate Theses and Dissertations

Understanding the effects of forest canopy structural complexity on multi-trophic diversity is critical for conserving biodiversity and managing land sustainably. But multi-trophic diversity is often ignored when making decisions about land management due to lack of cost- and time-effective methods to evaluate it. Here, we explored a new method based on widely available remote sensing data to quantify canopy structural complexity and its relationships with multi-trophic biodiversity at landscape scale using 32 forested sites of the National Ecological Observatory Network. We investigated the influence of vertical and horizontal structural complexity of forest canopy on multi-trophic (primary producers, herbivores (beetles), omnivores …

Comparing Composite Severe Weather Indices Of Thunderstorm Activity On Sea-Breeze And Non-Sea-Breeze Days In The Mobile, Alabama Area, Elizabeth Seiler

Honors Theses

Sea breezes (SB) occur frequently from May through October along the U.S. Gulf of Mexico Coast. One reason why SBs interest forecasters is their ability to spawn summertime thunderstorms, which can cause flash flooding, lightning, and hail. However, forecasting the exact timing and location of SB-driven convection can be challenging. This thesis will focus on Mobile and Baldwin Counties in southwest Alabama, which experience two types of phenomena – SBs along the Gulf of Mexico Coast and bay breezes on either side of Mobile Bay. Over the past years, multiple undergraduate students have analyzed Mobile, Alabama radar imagery of past …